bis[3-(hydroxymethyl)piperidin-1-yl]methanone

C13H24N2O3 — CID 151645360

IUPACbis[3-(hydroxymethyl)piperidin-1-yl]methanone
SMILESO=C(N1CCCC(CO)C1)N1CCCC(CO)C1
InChIInChI=1S/C13H24N2O3/c16-9-11-3-1-5-14(7-11)13(18)15-6-2-4-12(8-15)10-17/h11-12,16-17H,1-10H2
InChIKeyQTJZJCGVHAICIR-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.51
Rot. Bonds2

About bis[3-(hydroxymethyl)piperidin-1-yl]methanone

bis[3-(hydroxymethyl)piperidin-1-yl]methanone (PubChem CID 151645360) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is bis[3-(hydroxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namebis[3-(hydroxymethyl)piperidin-1-yl]methanone
PubChem CID151645360
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Namebis[3-(hydroxymethyl)piperidin-1-yl]methanone
SMILESO=C(N1CCCC(CO)C1)N1CCCC(CO)C1
InChIInChI=1S/C13H24N2O3/c16-9-11-3-1-5-14(7-11)13(18)15-6-2-4-12(8-15)10-17/h11-12,16-17H,1-10H2
InChIKeyQTJZJCGVHAICIR-UHFFFAOYSA-N
XLogP0.51
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-[3-(hydroxymethyl)piperidine-1-carbonyl]piperazin-1-yl]propanoic acid
CID 61201618
methyl 3-(hydroxymethyl)piperidine-1-carboxylate
CID 20598102
methyl (3S)-3-(hydroxymethyl)piperidine-1-carboxylate
CID 121340788
2-[4-[3-(hydroxymethyl)piperidine-1-carbonyl]morpholin-2-yl]acetic acid
CID 66434843
1-[3-(hydroxymethyl)piperidine-1-carbonyl]-3-methylpiperidine-3-carboxylic acid
CID 63135979
cyclopropyl-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]piperidin-1-yl]methanone
CID 43589536
4-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-4-oxobutanoic acid
CID 93204224
2-[1-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]pyrrolidin-3-yl]acetic acid
CID 112626827
[3-(hydroxymethyl)piperidin-1-yl]-[(2R)-piperidin-2-yl]methanone
CID 104912769
2,2,3,3,3-pentafluoro-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 114037853
3,3,3-trifluoro-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 43422447
2-amino-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 43590427

Frequently Asked Questions

What is the IUPAC name of bis[3-(hydroxymethyl)piperidin-1-yl]methanone?
The IUPAC name of bis[3-(hydroxymethyl)piperidin-1-yl]methanone (CID 151645360) is bis[3-(hydroxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for bis[3-(hydroxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for bis[3-(hydroxymethyl)piperidin-1-yl]methanone is O=C(N1CCCC(CO)C1)N1CCCC(CO)C1.
What is the InChIKey of bis[3-(hydroxymethyl)piperidin-1-yl]methanone?
The InChIKey is QTJZJCGVHAICIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c16-9-11-3-1-5-14(7-11)13(18)15-6-2-4-12(8-15)10-17/h11-12,16-17H,1-10H2.
What are the key properties of bis[3-(hydroxymethyl)piperidin-1-yl]methanone?
bis[3-(hydroxymethyl)piperidin-1-yl]methanone has a molecular weight of 256.35 g/mol, XLogP of 0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis[3-(hydroxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 151645360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).